5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid

C11H15N3O3S — CID 114267526

IUPAC5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
SMILESCC1CN(C(=O)c2cnc(C(=O)O)s2)CCN1C
InChIInChI=1S/C11H15N3O3S/c1-7-6-14(4-3-13(7)2)10(15)8-5-12-9(18-8)11(16)17/h5,7H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyBXZUPYUHZJTNKW-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.62
Rot. Bonds2

About 5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid

5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 114267526) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
PubChem CID114267526
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
SMILESCC1CN(C(=O)c2cnc(C(=O)O)s2)CCN1C
InChIInChI=1S/C11H15N3O3S/c1-7-6-14(4-3-13(7)2)10(15)8-5-12-9(18-8)11(16)17/h5,7H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyBXZUPYUHZJTNKW-UHFFFAOYSA-N
XLogP0.62
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid (CID 114267526) is 5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid is CC1CN(C(=O)c2cnc(C(=O)O)s2)CCN1C.
What is the InChIKey of 5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is BXZUPYUHZJTNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7-6-14(4-3-13(7)2)10(15)8-5-12-9(18-8)11(16)17/h5,7H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid?
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 114267526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).